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	hartrees
Energy at 0K	-568.128237
Energy at 298.15K
HF Energy	-567.345516
Nuclear repulsion energy	203.931687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3263	3148
2	A'	3228	3114
3	A'	3226	3112
4	A'	1522	1468
5	A'	1433	1382
6	A'	1355	1307
7	A'	1271	1227
8	A'	1149	1108
9	A'	1066	1028
10	A'	892	860
11	A'	880	849
12	A'	762	736
13	A'	619	597
14	A"	857	827
15	A"	789	761
16	A"	705	680
17	A"	590	569
18	A"	451	436

Atom	x (Å)	y (Å)
S1	0.000	1.194
C2	-1.198	-0.068
C3	1.222	-0.029
N4	-0.743	-1.295
C5	0.643	-1.274
H6	-2.255	0.180
H7	2.274	0.226
H8	1.186	-2.213

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7403	1.7283	2.5976	2.5499	2.4729	2.4713	3.6075
C2	1.7403		2.4204	1.3091	2.2007	1.0857	3.4849	3.2075
C3	1.7283	2.4204		2.3375	1.3732	3.4834	1.0828	2.1846
N4	2.5976	1.3091	2.3375		1.3856	2.1128	3.3789	2.1363
C5	2.5499	2.2007	1.3732	1.3856		3.2422	2.2163	1.0853
H6	2.4729	1.0857	3.4834	2.1128	3.2422		4.5297	4.1919
H7	2.4713	3.4849	1.0828	3.3789	2.2163	4.5297		2.6709
H8	3.6075	3.2075	2.1846	2.1363	1.0853	4.1919	2.6709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.113	S1	C2	H6	120.318
S1	C3	C5	110.077	S1	C3	H7	121.360
C2	S1	C3	88.501	C2	N4	C5	109.476
C3	C5	N4	115.833	C3	C5	H8	124.991
N4	C2	H6	123.569	N4	C5	H8	119.176
C5	C3	H7	128.563

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD(T)/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H3NS (Thiazole)

using model chemistry: CCSD(T)/6-311G**

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)